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Sodium dicyanamide

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Name

Sodium dicyanamide

EINECS 217-703-5
CAS No. 1934-75-4 Density N/A
PSA 50.82000 LogP -0.28514
Solubility 260 g/L (30 °C) in water Melting Point 300 °C
Formula C2HN3. Na Boiling Point 41.5 °C at 760 mmHg
Molecular Weight 89.0319 Flash Point 8.5 °C
Transport Information UN 3077 Appearance White to off-white powder
Safety 26-36-37/39 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 1934-75-4 (Sodium dicyanamide) Hazard Symbols IrritantXi, HarmfulXn
Synonyms

Cyanamide,cyano-, sodium salt (9CI);Dicyanamide, sodium salt (8CI);Sodium dicyanamide(6CI,7CI);

Article Data 17

Sodium dicyanamide Synthetic route

420-04-2

CYANAMID

506-77-4

cyanogen chloride

A

76989-89-4

sodium N-cyanoisourea

B

1934-75-4

sodium dicyanamide

C

7647-14-5

sodium chloride

Conditions
ConditionsYield
With sodium hydroxide In water at 70 - 75℃; under 1050.11 Torr; pH=7.2 - 8.0; Purification / work up;A n/a
B 94%
C n/a
420-04-2

CYANAMID

506-77-4

cyanogen chloride

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
With sodium hydroxide In water at 50 - 55℃; under 1050.11 Torr; pH=7.2 - 8.0;87%
With sodium hydroxide In water at 70 - 75℃; under 1050.11 Torr; pH=7.2 - 8.0; Product distribution / selectivity;83%
With sodium hydroxide In water at 70 - 75℃; under 1050.11 Torr; pH=7.2 - 8.0; Product distribution / selectivity;82%
With sodium hydroxide In water at 50 - 55℃; under 1050.11 Torr; pH=7.2 - 8.0; Product distribution / selectivity;79%
With sodium hydroxide In water at 70 - 75℃; for 1.58333h; pH=7.5 - 8.0;76%
506-68-3

bromocyane

420-04-2

CYANAMID

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
Stage #1: CYANAMID With sodium In ethanol at 20℃; for 1.5h;
Stage #2: bromocyane In ethanol for 2.5h;
72%
506-68-3

bromocyane

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
With water
506-68-3

bromocyane

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
With sodium amide in der Kugelmuehle;
sodium salt of O-ethyl-N-cyano-isourea

sodium salt of O-ethyl-N-cyano-isourea

1934-75-4

sodium dicyanamide

506-77-4

cyanogen chloride

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
With sodium amide In not given byproducts: NH3, NaCl; at room temp., in ball mill;

sodium amide

506-77-4

cyanogen chloride

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
byproducts: NH3, NaCl; in ball mill; reactn. complete after 60 h at room temp.;
byproducts: NH3, NaCl; in ball mill; reactn. complete after 60 h at room temp.;

sodium amide

506-77-4

cyanogen chloride

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
In neat (no solvent) constantly grinding in ball mill at ambient temp., 60h; complete exclusion of air;;
In neat (no solvent) constantly grinding in ball mill at ambient temp., 60h; complete exclusion of air;;
20611-81-8

disodium cyanamide

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
With NCBr In neat (no solvent) grinding in ball mill;;
With NCBr In neat (no solvent) grinding in ball mill;;

Sodium dicyanamide Specification

The Sodium dicyanamide, with the CAS registry number 1934-75-4, is a kind of white to off-white powder, with the product categories including C-X Bond Formation (Non-Halogen); Others; Synthetic Reagents; Hydrocyanic acid derivatives; Various hydrocyanic acid derivatives.

The physical properties of this chemical are as below: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.26; (6)ACD/BCF (pH 7.4): 1.26; (7)ACD/KOC (pH 5.5): 41; (8)ACD/KOC (pH 7.4): 41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 60; (13)Flash Point: 8.5 °C; (14)Enthalpy of Vaporization: 28.58 kJ/mol; (15)Boiling Point: 41.5 °C at 760 mmHg; (16)Vapour Pressure: 407 mmHg at 25°C; (17)Exact Mass: 88.998992; (18)MonoIsotopic Mass: 88.998992; (19)Topological Polar Surface Area: 48.6; (20)Heavy Atom Count: 6; (21)Complexity: 86.5.

Use of this chemical is below: Sodium dicyanamide could react with 4-fluoro-aniline; hydrochloride to produce 2-Cyan-1-(4-fluorphenyl)guanidin. This reaction could happen in the presence of the solvent of H2O, and it needs the reaction temperature of 60 ℃ with its yield of 67%.

When you deal with this chemical, you should be careful. For one thing, it is irritant to eyes, respiratory system and skin, which may also cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health. Wear suitable gloves and eye/face protection and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(#N)[N-]C#N.[Na+]
(2)InChI: InChI=1S/C2N3.Na/c3-1-5-2-4;/q-1;+1
(3)InChIKey: IXBPPZBJIFNGJJ-UHFFFAOYSA-N 

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